CID 169501894

Tolperisone metabolite m2

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(CN1CCCCC1)C(C2=CC=C(C=C2)CO)O
InChI
InChI=1S/C16H25NO2/c1-13(11-17-9-3-2-4-10-17)16(19)15-7-5-14(12-18)6-8-15/h5-8,13,16,18-19H,2-4,9-12H2,1H3
InChIKey
HORYCHJJZWLKBP-UHFFFAOYSA-N
Compound name
1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 165.3
[M+Na]+ 286.177758 167.3
[M-H]- 262.181264 166.3
[M+NH4]+ 281.222363 178.5
[M+K]+ 302.151698 163.7
[M+H-H2O]+ 246.185800 157.2
[M+HCOO]- 308.186741 178.7
[M+CH3COO]- 322.202391 193.5
[M+Na-2H]- 284.163206 165.2
[M]+ 263.18799142 159.5
[M]- 263.18908858 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.